(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide

C17H16BrF2NO2 — CID 124560664

IUPAC(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C[C@@H](c1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16BrF2NO2/c1-21(23-2)17(22)10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)20/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyPQBDMGOEZVYZDT-HNNXBMFYSA-N
MW384.22 g/mol
LogP4.27
Rot. Bonds5

About (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide

(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide (PubChem CID 124560664) has the molecular formula C17H16BrF2NO2 and a molecular weight of 384.22 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide
PubChem CID124560664
Molecular FormulaC17H16BrF2NO2
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C[C@@H](c1ccc(Br)cc1)c1ccc(F)cc1F
InChIInChI=1S/C17H16BrF2NO2/c1-21(23-2)17(22)10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)20/h3-9,15H,10H2,1-2H3/t15-/m0/s1
InChIKeyPQBDMGOEZVYZDT-HNNXBMFYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-bromophenyl)-3-(2,4-difluorophenyl)propyl]-2-methoxypyridine
CID 66666506
3-(4-bromophenyl)-1-(2,5-difluorophenyl)-3-(2-methylphenyl)propan-1-one
CID 67015511
methyl 2-(4-bromoanilino)-2-(2,4-difluorophenyl)acetate
CID 60993846
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
3-(4-bromophenyl)-3-(2-fluoro-4-methylphenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 66666257
methyl 3-(5-bromo-2-fluorophenyl)-3-(dimethylamino)propanoate
CID 116910232
5-[(E)-C-[2-(4-bromophenyl)-2-(2,4-difluorophenyl)ethyl]-N-hydroxycarbonimidoyl]-1-[(2R)-2-iodopropyl]pyridin-2-one
CID 172940468
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
(2S)-2-[[(S)-(4-bromophenyl)-(2,4-difluorophenyl)methyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 86590551
3-(4-bromophenyl)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-pyridinyl)propan-1-one
CID 66666708
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
3-(2,5-difluorophenyl)-3-(4-hydroxyphenyl)propanoic acid
CID 68691047

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide?
The IUPAC name of (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide (CID 124560664) is (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide?
The canonical SMILES for (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide is CON(C)C(=O)C[C@@H](c1ccc(Br)cc1)c1ccc(F)cc1F.
What is the InChIKey of (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide?
The InChIKey is PQBDMGOEZVYZDT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16BrF2NO2/c1-21(23-2)17(22)10-15(11-3-5-12(18)6-4-11)14-8-7-13(19)9-16(14)20/h3-9,15H,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide?
(3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide has a molecular weight of 384.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)-3-(2,4-difluorophenyl)-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 124560664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).